N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]benzamide
Formula:C16H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H15N3O2 |
| Smiles | O=C(CNC(c1ccccc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H15N3O2/c20-15(19-18-11-13-7-3-1-4-8-13)12-17-16(21)14-9-5-2-6-10-14/h1-11H,12H2,(H,17,21)(H,19,20) |
| InChIK | QYHFKCSNLMJUSE-UHFFFAOYSA-N |
| TotalMolweight | 281.314 |
| Molweight | 281.314 |
| MonoisotopicMass | 281.116427 |
| CLogP | 2.2853 |
| CLogS | -3.488 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.96 |
| Relative PSA | 0.26313 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.3287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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